SCHEMBL6172845

SCHEMBL6172845

CCN(CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 11/20 0.55
NFE2L2 Q16236 10/20 0.55
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
CNR2 P34972 4/20 0.47
CNR1 P21554 3/20 0.47
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
ESR2 Q92731 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL340292 0.91 KEAP1 (0.59) KEAP1NFE2L2MAPTSMN1; SMN2NPC1
SCHEMBL12106085 0.87 MEN1 (0.52) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL31384467 0.85 ALDH1A1 (0.46) KEAP1NFE2L2MAPTSMN1; SMN2ALDH1A1
SCHEMBL13645023 0.84 KEAP1 (0.50) KEAP1NFE2L2MAPTSMN1; SMN2ALDH1A1
SCHEMBL13603842 0.83 KEAP1 (0.52) KEAP1NFE2L2MAPTSMN1; SMN2ALDH1A1
SCHEMBL13645028 0.83 KEAP1 (0.52) KEAP1NFE2L2MAPTSMN1; SMN2NPC1
SCHEMBL13603913 0.83 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL11667468 0.83 CNR2 (0.50) KEAP1NFE2L2CNR2CNR1
SCHEMBL26217468 0.82 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL1263095 0.81 ALDH1A1 (0.60) MAPTSMN1; SMN2ALDH1A1GAAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 KEAP1 2646/4885NFE2L2 4128/4885MAPT 4818/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.